2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione

C18H20N2O2 — CID 141472503

IUPAC2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
SMILESCC1(C)CC(=O)c2c(n(Cc3ccccc3)c(N)cc2=O)C1
InChIInChI=1S/C18H20N2O2/c1-18(2)9-13-17(15(22)10-18)14(21)8-16(19)20(13)11-12-6-4-3-5-7-12/h3-8H,9-11,19H2,1-2H3
InChIKeyDXQDGFUIHQTYCJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.63
Rot. Bonds2

About 2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione

2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione (PubChem CID 141472503) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione.

Molecular Properties

Compound Name2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
PubChem CID141472503
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
SMILESCC1(C)CC(=O)c2c(n(Cc3ccccc3)c(N)cc2=O)C1
InChIInChI=1S/C18H20N2O2/c1-18(2)9-13-17(15(22)10-18)14(21)8-16(19)20(13)11-12-6-4-3-5-7-12/h3-8H,9-11,19H2,1-2H3
InChIKeyDXQDGFUIHQTYCJ-UHFFFAOYSA-N
XLogP2.63
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione with MolForge

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Launch Full Analysis

Related Compounds

2-amino-1-(2-chloro-5-methylphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
CID 141472530
1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
CID 1067666
6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one
CID 50741940
2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one
CID 63464793
4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide
CID 71525388
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
3-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-2-carbonitrile
CID 171987363
1-benzyl-2,2-dimethyl-3H-quinolin-4-one
CID 139227185
2-(benzylsulfanylmethylidene)-5,5-dimethylcyclohexane-1,3-dione
CID 10802297
3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione
CID 134840302
(3aS,8bS)-3,4-dibenzyl-6,6,8b-trimethyl-1,3a,5,7-tetrahydropyrrolo[2,3-b]indole-2,8-dione
CID 10549730
10-benzyl-9-(3,5-dibromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126053807

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione?
The IUPAC name of 2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione (CID 141472503) is 2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione.
What is the SMILES notation for 2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione?
The canonical SMILES for 2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione is CC1(C)CC(=O)c2c(n(Cc3ccccc3)c(N)cc2=O)C1.
What is the InChIKey of 2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione?
The InChIKey is DXQDGFUIHQTYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-18(2)9-13-17(15(22)10-18)14(21)8-16(19)20(13)11-12-6-4-3-5-7-12/h3-8H,9-11,19H2,1-2H3.
What are the key properties of 2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione?
2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione has a molecular weight of 296.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione is sourced from PubChem (CID 141472503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).